compound 0105303

Properties Image MNX_ID MNXM1184015 reference envipathM:...d4a9f037353c formula C13H16N2O6 global charge -2 mol weight 296.279 InChIKey TWFWQRIQTMVYCJ-HJXNJETESA-L InChI InChI=1S/C13H18N2O6/c1-3-15(6-7-16)8-11(17)14-10(4-5-12(18)19)9(2)13(20)21/h4-5,7H,3,6,8H2,1-2H3,(H,14,17)(H,18,19)(H,20,21)/p-2/b5-4-,10-9+ SMILES CCN(CC=O)C/C(O)=N/C(/C=C\C(=O)[O-])=C(\C)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H18N2O6/c1-3-15(6-7-16)8-11(17)14-10(4-5-12(18)19)9(2)13(20)21/h4-5,7H,3,6,8H2,1-2H3,(H,14,17)(H,18,19)(H,20,21)/b5-4-,10-9+ SMILES (mnx) [CH3:1][CH2:3][N:15]([CH2:6][CH:7]=[O:16])[CH2:8]/[C:11](=[N:14]/[C:10](/[CH:4]=[CH:5]\[C:12](=[O:18])[OH:19])=[C:9](\[CH3:2])[C:13](=[O:20])[OH:21])[OH:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0